Information card for entry 4129096

Structure parameters

• Formula: C54 H27 Cl2 Cu2 O9 P3
• Calculated formula: C54 H27 Cl2 Cu2 O9 P3
• Title of publication: Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.
• Authors of publication: Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.8679 ± 0.0004 Å
• b: 13.9505 ± 0.0005 Å
• c: 17.0453 ± 0.0006 Å
• α: 105.882 ± 0.002°
• β: 105.468 ± 0.002°
• γ: 105.195 ± 0.002°
• Cell volume: 2233.61 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No